1-(2-fluorophenyl)-2-methoxyethanone

C9H9FO2 — CID 43799529

IUPAC1-(2-fluorophenyl)-2-methoxyethanone
SMILESCOCC(=O)c1ccccc1F
InChIInChI=1S/C9H9FO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyLPMRDOFABLRVPK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-fluorophenyl)-2-methoxyethanone

1-(2-fluorophenyl)-2-methoxyethanone (PubChem CID 43799529) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methoxyethanone
PubChem CID43799529
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name1-(2-fluorophenyl)-2-methoxyethanone
SMILESCOCC(=O)c1ccccc1F
InChIInChI=1S/C9H9FO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyLPMRDOFABLRVPK-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methoxyethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-methoxyethanone (CID 43799529) is 1-(2-fluorophenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methoxyethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-methoxyethanone is COCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methoxyethanone?
The InChIKey is LPMRDOFABLRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methoxyethanone?
1-(2-fluorophenyl)-2-methoxyethanone has a molecular weight of 168.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methoxyethanone is sourced from PubChem (CID 43799529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).